![CAS 615568-38-2 6-(Hydroxymethyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/615568-38-2.gif)
CAS RN: 615568-38-2
6-(Hydroxymethyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
- Product code: SSC-170487
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
615568-38-2 / 6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
Basic Information
CAS
615568-38-2
Multi CAS
No
Molecular Formula
C8H8N2O3
Molecular Weight
180.160000
Exact Mass
180.053492
InChI
InChI=1S/C8H8N2O3/c11-3-5-1-2-6-8(9-5)10-7(12)4-13-6/h1-2,11H,3-4H2,(H,9,10,12)
InChIKey
AWDQNVRPXBMZPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.28
TPSA
71.45
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.09
XLogP3
-0.7
Consensus LogP
-0.3
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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